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Compile Data Set for Download or QSAR

Found 94 hits of ic50 data for polymerid = 5287   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50176808
PNG
(5-[(3-Chloro-phenyl)-imidazol-1-yl-methyl]-1H-benz...)
Show SMILES Clc1cccc(c1)C(c1ccc2nc[nH]c2c1)n1ccnc1
Show InChI InChI=1/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
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n/an/a 2.30n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50370925
PNG
(CHEMBL1627233)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1/C29H41NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,17,20,24,26-28,31-32H,2,7-8,13-16,18-19H2,1,3H3,(H2,30,33)/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/s2
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n/an/a 6.5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50370925
PNG
(CHEMBL1627233)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1/C29H41NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,17,20,24,26-28,31-32H,2,7-8,13-16,18-19H2,1,3H3,(H2,30,33)/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/s2
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n/an/a 7.40n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24 hydroxylase expressed in V79 cells


J Med Chem 47: 6854-63 (2004)


Article DOI: 10.1021/jm040129+
BindingDB Entry DOI: 10.7270/Q2ZW1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50214607
PNG
(CHEMBL541423 | MK-24 | MK-24(S)-S(O)(NH)Ph)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)C1=CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C29H39NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-13,17,20,24,27-28,31-32H,2,7-8,14-16,18-19H2,1,3H3,(H2,30,33)/b22-11+,23-12-/t20-,24-,27?,28+,29-,34?/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of CYP24


Bioorg Med Chem 15: 5047-60 (2007)


Article DOI: 10.1016/j.bmc.2007.05.046
BindingDB Entry DOI: 10.7270/Q20R9Q7F
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50370925
PNG
(CHEMBL1627233)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1/C29H41NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,17,20,24,26-28,31-32H,2,7-8,13-16,18-19H2,1,3H3,(H2,30,33)/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/s2
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n/an/a 7.40n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24A1 expressed in chinese hamster V79 cells


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50411322
PNG
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1
Show InChI InChI=1/C28H41NO3S/c1-20(14-16-33(29,32)25-8-4-3-5-9-25)26-12-13-27-22(7-6-15-28(26,27)2)11-10-21-17-23(30)19-24(31)18-21/h3-5,8-11,16,20,23-24,26-27,30-31H,6-7,12-15,17-19H2,1-2H3,(H2,29,32)/b22-11+/t20-,23-,24-,26-,27+,28-,33?/s2
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n/an/a 9.70n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24 hydroxylase expressed in V79 cells


J Med Chem 47: 6854-63 (2004)


Article DOI: 10.1021/jm040129+
BindingDB Entry DOI: 10.7270/Q2ZW1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50411322
PNG
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C[C@H](O)C1
Show InChI InChI=1/C28H41NO3S/c1-20(14-16-33(29,32)25-8-4-3-5-9-25)26-12-13-27-22(7-6-15-28(26,27)2)11-10-21-17-23(30)19-24(31)18-21/h3-5,8-11,16,20,23-24,26-27,30-31H,6-7,12-15,17-19H2,1-2H3,(H2,29,32)/b22-11+/t20-,23-,24-,26-,27+,28-,33?/s2
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n/an/a 13n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24 hydroxylase expressed in V79 cells


J Med Chem 47: 6854-63 (2004)


Article DOI: 10.1021/jm040129+
BindingDB Entry DOI: 10.7270/Q2ZW1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322358
PNG
(4'-Chloro-biphenyl-4-carboxylic acid((R)-2-imidazo...)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC[C@@H](c1ccccc1)n1ccnc1
Show InChI InChI=1/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-16-23(28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)/t23-/s2
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n/an/a 15n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322358
PNG
(4'-Chloro-biphenyl-4-carboxylic acid((R)-2-imidazo...)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC[C@@H](c1ccccc1)n1ccnc1
Show InChI InChI=1/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-16-23(28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)/t23-/s2
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n/an/a 15n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24A1


Bioorg Med Chem 25: 5629-5636 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50214606
PNG
(4'-chloro-biphenyl-4-carboxylic acid (2-imidazol-1...)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCC(c1ccccc1)n1ccnc1
Show InChI InChI=1/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-16-23(28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)
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n/an/a 15n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of CYP24 in human keratinocytes


Bioorg Med Chem 15: 5047-60 (2007)


Article DOI: 10.1016/j.bmc.2007.05.046
BindingDB Entry DOI: 10.7270/Q20R9Q7F
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322358
PNG
(4'-Chloro-biphenyl-4-carboxylic acid((R)-2-imidazo...)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC[C@@H](c1ccccc1)n1ccnc1
Show InChI InChI=1/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-16-23(28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)/t23-/s2
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n/an/a 15.1n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50411326
PNG
(CHEMBL2092724)
Show SMILES C[C@H](CC1(CC1)[S@](=N)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1/C31H43NO3S/c1-21(20-31(16-17-31)36(32,35)26-9-5-4-6-10-26)27-13-14-28-23(8-7-15-30(27,28)3)11-12-24-18-25(33)19-29(34)22(24)2/h4-6,9-12,21,25,27-29,32-34H,2,7-8,13-20H2,1,3H3/b23-11+,24-12-/t21-,25-,27-,28+,29+,30-,36-/s2
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n/an/a 20.5n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24 hydroxylase expressed in V79 cells


J Med Chem 47: 6854-63 (2004)


Article DOI: 10.1021/jm040129+
BindingDB Entry DOI: 10.7270/Q2ZW1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023361
PNG
(Cta018 | LUNACALCIPOL | Lunacalcipol)
Show SMILES C[C@H](C\C=C\S(=O)(=O)C(C)(C)C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1/C28H42O4S/c1-19(9-8-16-33(31,32)27(3,4)5)24-13-14-25-21(10-7-15-28(24,25)6)11-12-22-17-23(29)18-26(30)20(22)2/h8,11-13,16,19,23,25-26,29-30H,2,7,9-10,14-15,17-18H2,1,3-6H3/b16-8+,21-11+,22-12-/t19-,23-,25+,26+,28-/s2
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n/an/a 27n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50411324
PNG
Show SMILES C[C@H](CC=S(N)(=O)c1ccc(F)cc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1/C29H40FNO3S/c1-19(14-16-35(31,34)25-10-8-23(30)9-11-25)26-12-13-27-21(5-4-15-29(26,27)3)6-7-22-17-24(32)18-28(33)20(22)2/h6-11,16,19,24,26-28,32-33H,2,4-5,12-15,17-18H2,1,3H3,(H2,31,34)/b21-6+,22-7-/t19-,24-,26-,27+,28+,29-,35?/s2
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n/an/a 28n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24 hydroxylase expressed in V79 cells


J Med Chem 47: 6854-63 (2004)


Article DOI: 10.1021/jm040129+
BindingDB Entry DOI: 10.7270/Q2ZW1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50158486
PNG
((1R,3S,5Z)-5-{2-[(1R,3aS,4E,7aR)-1-[(2R)-4-(benzen...)
Show SMILES C[C@H](CCS(=O)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1/C29H40O4S/c1-20(15-17-34(32,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(30)19-28(31)21(23)2/h4-6,9-12,20,24,26-28,30-31H,2,7-8,13-19H2,1,3H3/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-/s2
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n/an/a 28n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24 hydroxylase expressed in V79 cells


J Med Chem 47: 6854-63 (2004)


Article DOI: 10.1021/jm040129+
BindingDB Entry DOI: 10.7270/Q2ZW1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50370925
PNG
(CHEMBL1627233)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1/C29H41NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,17,20,24,26-28,31-32H,2,7-8,13-16,18-19H2,1,3H3,(H2,30,33)/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/s2
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n/an/a 28n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24 hydroxylase expressed in V79 cells


J Med Chem 47: 6854-63 (2004)


Article DOI: 10.1021/jm040129+
BindingDB Entry DOI: 10.7270/Q2ZW1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50411324
PNG
Show SMILES C[C@H](CC=S(N)(=O)c1ccc(F)cc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1/C29H40FNO3S/c1-19(14-16-35(31,34)25-10-8-23(30)9-11-25)26-12-13-27-21(5-4-15-29(26,27)3)6-7-22-17-24(32)18-28(33)20(22)2/h6-11,16,19,24,26-28,32-33H,2,4-5,12-15,17-18H2,1,3H3,(H2,31,34)/b21-6+,22-7-/t19-,24-,26-,27+,28+,29-,35?/s2
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n/an/a 44n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24 hydroxylase expressed in V79 cells


J Med Chem 47: 6854-63 (2004)


Article DOI: 10.1021/jm040129+
BindingDB Entry DOI: 10.7270/Q2ZW1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50411323
PNG
(CHEMBL2093103)
Show SMILES C[C@H](CC1(CC1)[S@@](=N)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1/C31H43NO3S/c1-21(20-31(16-17-31)36(32,35)26-9-5-4-6-10-26)27-13-14-28-23(8-7-15-30(27,28)3)11-12-24-18-25(33)19-29(34)22(24)2/h4-6,9-12,21,25,27-29,32-34H,2,7-8,13-20H2,1,3H3/b23-11+,24-12-/t21-,25-,27-,28+,29+,30-,36+/s2
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n/an/a 50n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24 hydroxylase expressed in V79 cells


J Med Chem 47: 6854-63 (2004)


Article DOI: 10.1021/jm040129+
BindingDB Entry DOI: 10.7270/Q2ZW1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50370926
PNG
(CHEMBL1627204)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C
Show InChI InChI=1/C29H41NO2S/c1-21-11-14-25(31)20-24(21)13-12-23-8-7-18-29(3)27(15-16-28(23)29)22(2)17-19-33(30,32)26-9-5-4-6-10-26/h4-6,9-10,12-13,19,22,25,27-28,31H,1,7-8,11,14-18,20H2,2-3H3,(H2,30,32)/b23-12+,24-13-/t22-,25+,27-,28+,29-,33?/s2
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n/an/a 75n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24 hydroxylase expressed in V79 cells


J Med Chem 47: 6854-63 (2004)


Article DOI: 10.1021/jm040129+
BindingDB Entry DOI: 10.7270/Q2ZW1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023348
PNG
(CHEMBL3329769)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)c1
Show InChI InChI=1/C28H27N3O3/c1-33-25-16-22(17-26(18-25)34-2)9-8-21-10-12-24(13-11-21)28(32)30-19-27(31-15-14-29-20-31)23-6-4-3-5-7-23/h3-18,20,27H,19H2,1-2H3,(H,30,32)/b9-8+
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n/an/a 110n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50268167
PNG
(CHEMBL4105510)
Show SMILES COc1ccc(cc1)C(CNC(=O)c1ccc(\C=C\c2ccccc2)cc1)n1ccnc1
Show InChI InChI=1S/C27H25N3O2/c1-32-25-15-13-23(14-16-25)26(30-18-17-28-20-30)19-29-27(31)24-11-9-22(10-12-24)8-7-21-5-3-2-4-6-21/h2-18,20,26H,19H2,1H3,(H,29,31)/b8-7+
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n/an/a 110n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...


Bioorg Med Chem 25: 4076-4087 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023348
PNG
(CHEMBL3329769)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)c1
Show InChI InChI=1/C28H27N3O3/c1-33-25-16-22(17-26(18-25)34-2)9-8-21-10-12-24(13-11-21)28(32)30-19-27(31-15-14-29-20-31)23-6-4-3-5-7-23/h3-18,20,27H,19H2,1-2H3,(H,30,32)/b9-8+
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n/an/a 110n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...


Bioorg Med Chem 25: 4076-4087 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50268166
PNG
(CHEMBL4080128)
Show SMILES COc1ccc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccc(Cl)cc2)n2ccnc2)cc1OC
Show InChI InChI=1S/C28H26ClN3O3/c1-34-26-14-7-21(17-27(26)35-2)4-3-20-5-8-23(9-6-20)28(33)31-18-25(32-16-15-30-19-32)22-10-12-24(29)13-11-22/h3-17,19,25H,18H2,1-2H3,(H,31,33)/b4-3+
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n/an/a 120n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...


Bioorg Med Chem 25: 4076-4087 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/s2
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n/an/a 126n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 in human epidermal keratinocytes


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023349
PNG
(CHEMBL3329770)
Show SMILES COc1cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc(OC)c1OC
Show InChI InChI=1/C29H29N3O4/c1-34-26-17-22(18-27(35-2)28(26)36-3)10-9-21-11-13-24(14-12-21)29(33)31-19-25(32-16-15-30-20-32)23-7-5-4-6-8-23/h4-18,20,25H,19H2,1-3H3,(H,31,33)/b10-9+
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n/an/a 140n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50268156
PNG
(CHEMBL4066700)
Show SMILES FC(F)(F)c1ccc(cc1)C(CNC(=O)c1cccc(\C=C\c2ccccc2)c1)n1ccnc1
Show InChI InChI=1S/C27H22F3N3O/c28-27(29,30)24-13-11-22(12-14-24)25(33-16-15-31-19-33)18-32-26(34)23-8-4-7-21(17-23)10-9-20-5-2-1-3-6-20/h1-17,19,25H,18H2,(H,32,34)/b10-9+
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n/an/a 150n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...


Bioorg Med Chem 25: 4076-4087 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023355
PNG
(CHEMBL3329774)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(OC(=O)n3ccnc3)C(C)(C)C)cc2)c1
Show InChI InChI=1/C27H32N2O4/c1-27(2,3)25(33-26(30)29-15-14-28-19-29)13-12-21-8-6-20(7-9-21)10-11-22-16-23(31-4)18-24(17-22)32-5/h6-11,14-19,25H,12-13H2,1-5H3/b11-10+
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n/an/a 160n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50268157
PNG
(CHEMBL4087998)
Show SMILES Clc1ccc(cc1)C(CNC(=O)c1cccc(\C=C\c2ccccc2)c1)n1ccnc1
Show InChI InChI=1S/C26H22ClN3O/c27-24-13-11-22(12-14-24)25(30-16-15-28-19-30)18-29-26(31)23-8-4-7-21(17-23)10-9-20-5-2-1-3-6-20/h1-17,19,25H,18H2,(H,29,31)/b10-9+
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n/an/a 160n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...


Bioorg Med Chem 25: 4076-4087 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023359
PNG
(CHEMBL3329778)
Show SMILES CC(C)(C)C(=O)C(=C\c1ccc(\C=C\c2ccccc2)cc1)\n1ccnc1
Show InChI InChI=1S/C24H24N2O/c1-24(2,3)23(27)22(26-16-15-25-18-26)17-21-13-11-20(12-14-21)10-9-19-7-5-4-6-8-19/h4-18H,1-3H3/b10-9+,22-17-
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n/an/a 180n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50268169
PNG
(CHEMBL4103700)
Show SMILES FC(F)(F)c1ccc(cc1)C(CNC(=O)c1ccc(\C=C\c2ccccc2)cc1)n1ccnc1
Show InChI InChI=1S/C27H22F3N3O/c28-27(29,30)24-14-12-22(13-15-24)25(33-17-16-31-19-33)18-32-26(34)23-10-8-21(9-11-23)7-6-20-4-2-1-3-5-20/h1-17,19,25H,18H2,(H,32,34)/b7-6+
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n/an/a 180n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...


Bioorg Med Chem 25: 4076-4087 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50027700
PNG
(CHEMBL3344395)
Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCCn4ccnc4)ccc23)c1
Show InChI InChI=1S/C25H27N3O2/c1-29-22-16-20(17-23(18-22)30-2)8-9-21-6-5-7-25-24(21)10-14-28(25)13-4-3-12-27-15-11-26-19-27/h5-11,14-19H,3-4,12-13H2,1-2H3/b9-8+
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n/an/a 190n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50268158
PNG
(CHEMBL4104362)
Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1cccc(\C=C\c2ccccc2)c1
Show InChI InChI=1S/C26H23N3O/c30-26(24-13-7-10-22(18-24)15-14-21-8-3-1-4-9-21)28-19-25(29-17-16-27-20-29)23-11-5-2-6-12-23/h1-18,20,25H,19H2,(H,28,30)/b15-14+
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n/an/a 190n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...


Bioorg Med Chem 25: 4076-4087 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50027702
PNG
(CHEMBL3344394)
Show SMILES C(CCn1ccc2c(\C=C\c3ccccc3)cccc12)Cn1ccnc1
Show InChI InChI=1S/C23H23N3/c1-2-7-20(8-3-1)11-12-21-9-6-10-23-22(21)13-17-26(23)16-5-4-15-25-18-14-24-19-25/h1-3,6-14,17-19H,4-5,15-16H2/b12-11+
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n/an/a 200n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50268170
PNG
(CHEMBL4087325)
Show SMILES Clc1ccc(cc1)C(CNC(=O)c1ccc(\C=C\c2ccccc2)cc1)n1ccnc1
Show InChI InChI=1S/C26H22ClN3O/c27-24-14-12-22(13-15-24)25(30-17-16-28-19-30)18-29-26(31)23-10-8-21(9-11-23)7-6-20-4-2-1-3-5-20/h1-17,19,25H,18H2,(H,29,31)/b7-6+
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n/an/a 210n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...


Bioorg Med Chem 25: 4076-4087 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023346
PNG
(CHEMBL3329767)
Show SMILES Fc1ccc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1
Show InChI InChI=1/C26H22FN3O/c27-24-14-10-21(11-15-24)7-6-20-8-12-23(13-9-20)26(31)29-18-25(30-17-16-28-19-30)22-4-2-1-3-5-22/h1-17,19,25H,18H2,(H,29,31)/b7-6+
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n/an/a 260n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322357
PNG
((E)-4-N-(2-(1H-imidazol-1-yl)-2-phenylethyl)-4-sty...)
Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1/C26H23N3O/c30-26(24-15-13-22(14-16-24)12-11-21-7-3-1-4-8-21)28-19-25(29-18-17-27-20-29)23-9-5-2-6-10-23/h1-18,20,25H,19H2,(H,28,30)/b12-11+
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n/an/a 300n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP24A1 expressed in chinese hamster V79 cells using [3H-1-beta]calcitriol after 60 mins by scintillation counting


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50268171
PNG
(CHEMBL4076840)
Show SMILES Cc1ccc(cc1C)C(CNC(=O)c1ccc(\C=C\c2ccccc2)cc1)n1ccnc1
Show InChI InChI=1S/C28H27N3O/c1-21-8-13-26(18-22(21)2)27(31-17-16-29-20-31)19-30-28(32)25-14-11-24(12-15-25)10-9-23-6-4-3-5-7-23/h3-18,20,27H,19H2,1-2H3,(H,30,32)/b10-9+
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n/an/a 310n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...


Bioorg Med Chem 25: 4076-4087 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/s2
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n/an/a 312n/an/an/an/an/an/a



The Johns Hopkins University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24 hydroxylase expressed in V79 cells


J Med Chem 47: 6854-63 (2004)


Article DOI: 10.1021/jm040129+
BindingDB Entry DOI: 10.7270/Q2ZW1MRZ
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/s2
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n/an/a 312n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24A1 expressed in chinese hamster V79 cells


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023347
PNG
(CHEMBL3329768)
Show SMILES COc1ccc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1
Show InChI InChI=1/C27H25N3O2/c1-32-25-15-11-22(12-16-25)8-7-21-9-13-24(14-10-21)27(31)29-19-26(30-18-17-28-20-30)23-5-3-2-4-6-23/h2-18,20,26H,19H2,1H3,(H,29,31)/b8-7+
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n/an/a 340n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50268155
PNG
(CHEMBL4060725)
Show SMILES FC(F)(F)c1ccccc1\C=C\c1cccc(c1)C(=O)NCC(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C27H22F3N3O/c28-27(29,30)24-12-5-4-8-21(24)14-13-20-7-6-11-23(17-20)26(34)32-18-25(33-16-15-31-19-33)22-9-2-1-3-10-22/h1-17,19,25H,18H2,(H,32,34)/b14-13+
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n/an/a 340n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...


Bioorg Med Chem 25: 4076-4087 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50268168
PNG
(CHEMBL4079445)
Show SMILES FC(F)(F)c1ccccc1C(CNC(=O)c1ccc(\C=C\c2ccccc2)cc1)n1ccnc1
Show InChI InChI=1S/C27H22F3N3O/c28-27(29,30)24-9-5-4-8-23(24)25(33-17-16-31-19-33)18-32-26(34)22-14-12-21(13-15-22)11-10-20-6-2-1-3-7-20/h1-17,19,25H,18H2,(H,32,34)/b11-10+
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n/an/a 350n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...


Bioorg Med Chem 25: 4076-4087 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50027683
PNG
(CHEMBL3344392)
Show SMILES C(Cn1ccnc1)Cn1ccc2c(\C=C\c3ccccc3)cccc12
Show InChI InChI=1S/C22H21N3/c1-2-6-19(7-3-1)10-11-20-8-4-9-22-21(20)12-16-25(22)15-5-14-24-17-13-23-18-24/h1-4,6-13,16-18H,5,14-15H2/b11-10+
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n/an/a 360n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322357
PNG
((E)-4-N-(2-(1H-imidazol-1-yl)-2-phenylethyl)-4-sty...)
Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1/C26H23N3O/c30-26(24-15-13-22(14-16-24)12-11-21-7-3-1-4-8-21)28-19-25(29-18-17-27-20-29)23-9-5-2-6-10-23/h1-18,20,25H,19H2,(H,28,30)/b12-11+
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n/an/a 400n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50027682
PNG
(CHEMBL3344393)
Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCn4ccnc4)ccc23)c1
Show InChI InChI=1S/C24H25N3O2/c1-28-21-15-19(16-22(17-21)29-2)7-8-20-5-3-6-24-23(20)9-13-27(24)12-4-11-26-14-10-25-18-26/h3,5-10,13-18H,4,11-12H2,1-2H3/b8-7+
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n/an/a 440n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/s2
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n/an/a 470n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/s2
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n/an/a 470n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay


Eur J Med Chem 87: 39-51 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM151585
PNG
(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of MBP-tagged human CYP24A1 expressed Escherichia coli BL21-Gold(DE3) incubated for 25 mins in presence of Adx, AdR 1,25(OH)2D3 and NADPH ...


Bioorg Med Chem 25: 4076-4087 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM151585
PNG
(US8987315, Ketoconazole | US9180183, Ketoconazole ...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation count...


Bioorg Med Chem 25: 5629-5636 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50023350
PNG
(CHEMBL3329771)
Show SMILES Fc1ccc(CCc2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1
Show InChI InChI=1/C26H24FN3O/c27-24-14-10-21(11-15-24)7-6-20-8-12-23(13-9-20)26(31)29-18-25(30-17-16-28-19-30)22-4-2-1-3-5-22/h1-5,8-17,19,25H,6-7,18H2,(H,29,31)
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n/an/a 510n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc...


J Med Chem 57: 7702-15 (2014)


Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND
More data for this
Ligand-Target Pair
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